(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide

C24H45N11O5 — CID 131698115

About (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide

(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide (PubChem CID 131698115) has the molecular formula C24H45N11O5 and a molecular weight of 567.70 g/mol. Its IUPAC name is (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide.

Molecular Properties

• Compound Name: (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide
• PubChem CID: 131698115
• Molecular Formula: C24H45N11O5
• Molecular Weight: 567.70 g/mol
• Exact Mass: 567.36
• IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide
• SMILES: CC(C)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C=O
• InChI: InChI=1S/C24H45N11O5/c1-14(2)19(34-20(38)16(25)7-3-9-30-23(26)27)21(39)32-12-18(37)33-17(8-4-10-31-24(28)29)22(40)35-11-5-6-15(35)13-36/h13-17,19H,3-12,25H2,1-2H3,(H,32,39)(H,33,37)(H,34,38)(H4,26,27,30)(H4,28,29,31)/t15-,16-,17-,19-/m0/s1
• InChIKey: VOAYBESQJISXJO-DWRORGKVSA-N
• XLogP: -3.65
• TPSA: 279.50 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.70
LogP ≤ 5	-3.65
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide?

The IUPAC name of (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide (CID 131698115) is (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide.

What is the SMILES notation for (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide?

The canonical SMILES for (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide is CC(C)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C=O.

What is the InChIKey of (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide?

The InChIKey is VOAYBESQJISXJO-DWRORGKVSA-N. The full InChI is InChI=1S/C24H45N11O5/c1-14(2)19(34-20(38)16(25)7-3-9-30-23(26)27)21(39)32-12-18(37)33-17(8-4-10-31-24(28)29)22(40)35-11-5-6-15(35)13-36/h13-17,19H,3-12,25H2,1-2H3,(H,32,39)(H,33,37)(H,34,38)(H4,26,27,30)(H4,28,29,31)/t15-,16-,17-,19-/m0/s1.

What are the key properties of (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide?

(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide has a molecular weight of 567.70 g/mol, XLogP of -3.65, 17 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]pentanamide is sourced from PubChem (CID 131698115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).